tert-butyl-[3-(3-ethoxycarbonyl-1,2-dimethyl-indol-5-yl)oxy-2-oxidanyl-propyl]azanium

Systemtic Name: tert-butyl-[3-(3-ethoxycarbonyl-1,2-dimethyl-indol-5-yl)oxy-2-oxidanyl-propyl]azanium Openeye Name: tert-butyl-[3-(3-ethoxycarbonyl-1,2-dimethyl-indol-5-yl)oxy-2-hydroxy-propyl]ammonium CAS Name: tert-butyl-[3-[(3-ethoxycarbonyl-1,2-dimethyl-5-indolyl)oxy]-2-hydroxypropyl]ammonium IUPAC Name: tert-butyl-[3-(3-ethoxycarbonyl-1,2-dimethylindol-5-yl)oxy-2-hydroxypropyl]azanium Traditional Name: tert-butyl-[3-(3-carbethoxy-1,2-dimethyl-indol-5-yl)oxy-2-hydroxy-propyl]ammonium Formula: C20H31N2O4+ MolecularWeight: 363.47114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]C(C)(C)C)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(C[NH2+]C(C)(C)C)O)C)C

InChI

InChI=1S/C20H30N2O4/c1-7-25-19(24)18-13(2)22(6)17-9-8-15(10-16(17)18)26-12-14(23)11-21-20(3,4)5/h8-10,14,21,23H,7,11-12H2,1-6H3/p+1